N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(4,5-diphenylimidazol-1-yl)propanamide
Formula:C25H21N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(4,5-diphenylimidazol-1-yl)propanamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(4,5-diphenylimidazol-1-yl)propanamide |
| MolecularFormula | C25H21N4OCl |
| Smiles | O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)nc1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C25H21ClN4O/c26-22-13-11-19(12-14-22)17-28-29-23(31)15-16-30-18-27-24(20-7-3-1-4-8-20)25(30)21-9-5-2-6-10-21/h1-14,17-18H,15-16H2,(H,29,31) |
| InChIK | FWEWZZSJUZJOID-UHFFFAOYSA-N |
| TotalMolweight | 428.922 |
| Molweight | 428.922 |
| MonoisotopicMass | 428.140388 |
| CLogP | 5.55 |
| CLogS | -6.228 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 337.41 |
| Relative PSA | 0.1596 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 6.6921 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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